KEGG   DRUG: Alniditan dihydrochlorideHelp
Entry
D02826                      Drug                                   

Name
Alniditan dihydrochloride (USAN)
Formula
C17H26N4O. 2HCl
Exact mass
374.164
Mol weight
375.3364
Structure
Mol fileKCF fileDB search
Class
Analgesic
 DG01484  5-HT1B-receptor agonist
 DG01518  5-HT1B/1D-receptor agonist
Efficacy
Antimigraine, Serotonin receptor agonist
Target
HTR1B [HSA:3351] [KO:K04153]
HTR1D [HSA:3352] [KO:K04153]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR1B
     D02826  Alniditan dihydrochloride (USAN)
    HTR1D
     D02826  Alniditan dihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 155428-00-5
PubChem: 17396983
ChEMBL: CHEMBL3216327
LigandBox: D02826
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    10.5000  -15.5400
            2   C8x C     9.2876  -16.2400
            3   C8x C     9.2876  -17.6400
            4   C8x C    10.5000  -18.3400
            5   C8y C    11.7124  -17.6400
            6   C8y C    11.7124  -16.2400
            7   C1x C    12.9249  -18.3400
            8   C1x C    14.1373  -17.6400
            9   C1y C    14.1373  -16.2400
            10  O2x O    12.9249  -15.5400
            11  N1b N    16.5622  -16.2400
            12  C1b C    15.3497  -15.5400
            13  C1b C    18.9870  -16.2400
            14  C1b C    17.7746  -15.5400
            15  N1b N    21.4119  -16.2400
            16  C1b C    20.1995  -15.5400
            17  N1x N    23.8368  -16.2400
            18  C2y C    22.6244  -15.5400
            19  C1x C    25.0492  -15.5400
            20  C1x C    25.0492  -14.1400
            21  C1x C    23.8368  -13.4400
            22  N2x N    22.6244  -14.1400
            23  X   Cl   30.1000  -15.9600
            24  X   Cl   30.1000  -15.9600
BOND        24
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    6  10 1
            12   11  12 1
            13   13  14 1
            14   11  14 1
            15   15  16 1
            16   13  16 1
            17   17  18 1
            18   15  18 1
            19    9  12 1 #Up
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  18 2
BRACKET     1    28.4900  -16.8000   28.4900  -15.0500
            1    31.1500  -15.0500   31.1500  -16.8000
            1  2
 ORIGINAL  1   24
 REPEAT    1   25

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